Die Tieftemperaturkristallstruktur von Trimethylsilanol / The Low Temperature Crystal Structure of Trimethylsilanol

Minkwitz, R.; Schneider, Stefan

doi:10.1515/znb-1998-0406

Cited by 10 publications

(8 citation statements)

References 5 publications

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“…The molecular structure of the 1,3,5,7-tetrasiloxane-1,7-diol derivative 1 shows the O(1)-bonded hydrogen to point in the direction of the carbon atom C(21) (H(1)···C(21) 2.85(5) Å, H(1)−O(1)−Si(2)−C(21) −23.4(7)°), which probably indicates weak hydrogen interaction with the corresponding phenyl group and explains the infrared spectrum of compound 1 , as it was reported in 1968 14d…”

Section: Resultssupporting

confidence: 56%

“…The most important features to be noticed are (i) the absence of any Si−O···H···O hydrogen bridges in the 1,3,5,7-tetrasiloxane-1,7-diol derivative 1 , which is in sharp contrast to any other structurally characterized organosilanol and organosil(ox)anol, respectively 14a-c and which illustrates the qualitative change in the structures of Ph 2 (OH)Si(OSiPh 2 O) n Si(OH)Ph 2 on going from n = 1 3d to n = 2, and (ii) the Si(1)−O−Si(1a) angles of 180° in both 1 and its tricyclohexyltin derivative 2 . Both features make compounds 1 and 2 the first true subunits 9a showing the structural characteristics of PDPhS and of [O t -Bu 2 SnOSiPh 2 OSiPh 2 O] n .…”

Section: Resultsmentioning

confidence: 99%

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1,1,3,3,5,5,7,7-Octaphenyl-1,3,5,7-tetrasiloxane-1,7-diol and Its Organotin Derivatives. Model Compounds for Diphenylsiloxane Polymer

et al. 1999

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The hydrolysis of the spirotitanasiloxane Ti[(OSiPh 2 ) 4 O] 2 provides 1,1,3,3,5,5,7,7-octaphenyl-1,3,5,7-tetrasiloxane-1,7-diol, H(OSiPh 2 ) 4 OH (1), in high yield. The reaction of 1 with tricyclohexyltin hydroxide, cyclo-Hex 3 SnOH, and di-tert-butyltin oxide, cyclo-(t-Bu 2 SnO) 3 , respectively, gives 1,1,3,3,5,5,7,7-octaphenyl-1,7-tricyclohexylstannyl-1,3,5,7-tetrasiloxane, (cyclo-Hex 3 SnOSiPh 2 OSiPh 2 ) 2 O (2), and 1,1-di-tert- (butyl-3,5,7,9-octaphenyl-2,4,6,8,10-pentaoxa-,3,5,7,9-tetrasila-1-stannacyclododecane, cyclo-t-Bu 2 Sn(OSiPh 2 OSiPh 2 ) 2 O (3). The molecular structures of 1 and 2 were determined by X-ray diffraction. In both compounds the central Si-O-Si angle amounts to 180°. Remarkably, no hydrogen bonding is observed for 1.

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Section: Resultssupporting

confidence: 56%

Section: Resultsmentioning

confidence: 99%

1,1,3,3,5,5,7,7-Octaphenyl-1,3,5,7-tetrasiloxane-1,7-diol and Its Organotin Derivatives. Model Compounds for Diphenylsiloxane Polymer

et al. 1999

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“…Although hydrogen bonding between Lewis bases and many silanols has been previously observed by X‐ray crystallography, no such observation has been made with trimethylsilanol. Only the low‐temperature crystal structure of trimethylsilanol has been reported, making it difficult to compare the Lewis basicity of Me CAAC=NH based on the N−(H)O distance (2.732(4) Å) in Me CAAC=NH⋅HOSiMe 3 . The Si−O distance (1.635(2) Å) is identical to that found in the crystal structure of Me 3 SiOH (1.636(3) Å) …”

Section: Resultsmentioning

confidence: 99%

^MeCAAC=N⁻: A Cyclic (Alkyl)(Amino)Carbene Imino Ligand

Goettel

Gao

Dotzauer

et al. 2020

Chemistry A European J

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Ac yclic (alkyl)(amino)carbene (CAAC) has been shown to react with acovalentazide similar to the Staudinger reaction. The reaction of Me CAAC with trimethylsilyl azide afforded the N-silylated 2-iminopyrrolidine ( Me CAAC=NSiMe 3 ), which was fully characterized. This compound undergoes hydrolysis to afford the 2-iminopyrrolidine and trimethylsiloxane which co-crystallize as ah ydrogen-bonded adduct. The N-silylated 2-iminopyrrolidine was used to transfer the novel pyrrolidine-2-iminatol igand onto both main-group and transition-metal centers. The reactiono ft he tetrabromodiborane bis(dimethyl sulfide) adduct with two equivalents of Me CAAC=NSiMe 3 afforded the disubstituted diborane.

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“…However, to the best of our knowledge, experimental vibrational spectra are known only for a few silanols; the most complete experimental spectral data exist for trimethylsilanol. [19][20][21][22] In contrast to the absence of both experimental and theoretical data on silanol oligomers, there exist numerous studies of water dimers, trimers, and tetramers. Studies of the methanol clusters are less abundant, but these species received considerable attention in recent years.…”

Section: Introductionmentioning

confidence: 99%

Effect of the Silyl Substitution on Structure and Vibrational Spectra of Hydrogen-Bonded Networks in Dimers, Cyclic Trimers, and Tetramers

2002

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Geometries of the hydrogen bound clusters (ROH) n (n = 1−4, R = H, CH3, and SiH3) are optimized at the B3LYP/DZP+diff level of theory. The reliability of the theoretical method employed for the description of the electronic structure of the hydrogen-bonded network is assesed by a comparison of the predicted geometry parameters and the BSSE corrected association energies with the existing experimental parameters and the higher level theoretical estimates for a water dimer and methanol oligomers. Cyclic structures with S 4 symmetry, similar in the hydrogen-bond arrangement to that of the water tetramer, were found as minima at the potential energy surface of methanol and silanol tetramers. The cyclic silanol trimer has the C 3 h symmetry, in contrast to water and methanol trimers which are characterized by the nonplanar asymmetric structures. The O−O atomic separations decrease and association energies per monomer increase with n and in going from H to SiH3. The silanol tetramer has the highest association energy per monomer among the analyzed systems. This finding is in keeping with the dominance of tetrameric cyclic structures in the experimentally studied crystal structures of silanols. Vibrational frequency shifts with n in the water−methanol−silanol systems are discussed and frequencies for methanol and silanol trimers and tetramers are predicted from the ab initio force fields scaled with factors refined to fit experimental vibrational frequencies of monomers and a water dimer. The main feature of the frequency change with n, along with the lowering of the OH stretch, is the upward shift of the OH bend, which is exceptionally high in silanols.

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Die Tieftemperaturkristallstruktur von Trimethylsilanol / The Low Temperature Crystal Structure of Trimethylsilanol

Cited by 10 publications

References 5 publications

1,1,3,3,5,5,7,7-Octaphenyl-1,3,5,7-tetrasiloxane-1,7-diol and Its Organotin Derivatives. Model Compounds for Diphenylsiloxane Polymer

1,1,3,3,5,5,7,7-Octaphenyl-1,3,5,7-tetrasiloxane-1,7-diol and Its Organotin Derivatives. Model Compounds for Diphenylsiloxane Polymer

^MeCAAC=N⁻: A Cyclic (Alkyl)(Amino)Carbene Imino Ligand

Effect of the Silyl Substitution on Structure and Vibrational Spectra of Hydrogen-Bonded Networks in Dimers, Cyclic Trimers, and Tetramers

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Die Tieftemperaturkristallstruktur von Trimethylsilanol / The Low Temperature Crystal Structure of Trimethylsilanol

Cited by 10 publications

References 5 publications

1,1,3,3,5,5,7,7-Octaphenyl-1,3,5,7-tetrasiloxane-1,7-diol and Its Organotin Derivatives. Model Compounds for Diphenylsiloxane Polymer

1,1,3,3,5,5,7,7-Octaphenyl-1,3,5,7-tetrasiloxane-1,7-diol and Its Organotin Derivatives. Model Compounds for Diphenylsiloxane Polymer

MeCAAC=N−: A Cyclic (Alkyl)(Amino)Carbene Imino Ligand

Effect of the Silyl Substitution on Structure and Vibrational Spectra of Hydrogen-Bonded Networks in Dimers, Cyclic Trimers, and Tetramers

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^MeCAAC=N⁻: A Cyclic (Alkyl)(Amino)Carbene Imino Ligand